8-nitro-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-N-[(pyridin-3-yl)methyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
8-nitro-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-N-[(pyridin-3-yl)methyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
8-nitro-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-N-[(pyridin-3-yl)methyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V002-0282 |
| Compound Name: | 8-nitro-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-N-[(pyridin-3-yl)methyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 478.55 |
| Molecular Formula: | C25 H30 N6 O4 |
| Salt: | not_available |
| Smiles: | C1CCN(C1)C(CN1CCN2C(C1)C(Cc1cc(ccc12)[N+]([O-])=O)C(NCc1cccnc1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.8704 |
| logD: | 0.3113 |
| logSw: | -1.9636 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.155 |
| InChI Key: | VQLJUOBFWWIVEO-UHFFFAOYSA-N |